3,6-Bis-dimethylthiocarbamoyloxy-phthalic acid dimethyl ester | 220398-57-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,6-Bis-dimethylthiocarbamoyloxy-phthalic acid dimethyl ester
• 英文别名: Dimethyl 3,6-bis(dimethylcarbamothioyloxy)benzene-1,2-dicarboxylate
• CAS: 220398-57-2
• 化学式: C₁₆H₂₀N₂O₆S₂
• 分子量: 400.477
• InChiKey: CSSCZUIERAQFEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  142
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3,6-Bis-dimethylthiocarbamoyloxy-phthalic acid dimethyl ester 在 lithium aluminium tetrahydride 作用下， 以 二苯醚 为溶剂， 生成 tetramethyl 1,10-dihydrobenzo<1,2:b:4,3-b'>bisthiopyran-2,3,8,9-tetracarboxylate
  参考文献：
  名称：

  Angular benzobisthietes

  摘要：

  The angular benzobisthietes 3 and 5 could be prepared by synthetic sequences in which the final step was in both cases a twofold dehydration of the corresponding bis(hydroxymethyl)dimercaptobenzenes 10 and 14, respectively. Flash vacuum pyrolysis conditions were used for the generation and isolation of 3 and 5 which are highly reactive bisdiene systems. Cycloaddition reactions with the dienophiles 15 and 18a,b led to the adducts 16, 17, and 19a,b. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02265-5
• 作为产物：
  描述：

  dimethyl 3,6-dihydroxyphthalate 、 二甲氨基硫代甲酰氯 在 三乙烯二胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以97%的产率得到3,6-Bis-dimethylthiocarbamoyloxy-phthalic acid dimethyl ester
  参考文献：
  名称：

  Angular benzobisthietes

  摘要：

  The angular benzobisthietes 3 and 5 could be prepared by synthetic sequences in which the final step was in both cases a twofold dehydration of the corresponding bis(hydroxymethyl)dimercaptobenzenes 10 and 14, respectively. Flash vacuum pyrolysis conditions were used for the generation and isolation of 3 and 5 which are highly reactive bisdiene systems. Cycloaddition reactions with the dienophiles 15 and 18a,b led to the adducts 16, 17, and 19a,b. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02265-5